Advancing Energy Development with MBene: Chemical Mechanism, AI, and Applications in Energy Storage and Harvesting

• MBene, a derivative of MXene, exhibits exceptional electrical conductivity, structural flexibility, and mechanical properties, making it a promising material for energy storage and harvesting applications. • The review systematically covers the synthesis, chemical mechanisms, and structural variants of MBene, including hex-, ortho-, tetra-, and tri-MBenes, as well as MXenes with identical transition metal components. • MBene demonstrates significant electrochemical performance in batteries (Li/Na/Mg/Ca/Li–S) and supercapacitors, as well as in CO2 and nitrogen reduction reactions, highlighting its versatility in energy conversion and harvesting. • The integration of artificial intelligence in predicting MBene properties and the challenges in experimental synthesis are critically discussed, providing a roadmap for future research and development.